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	hartrees
Energy at 0K	-1859.347537
Energy at 298.15K	-1859.352912
HF Energy	-1859.347537
Nuclear repulsion energy	163.945788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3019	2921	0.00
2	A₁'	1205	1166	0.00
3	A₁'	495	479	0.00
4	A₁"	4	4	0.00
5	A₂"	3017	2919	43.53
6	A₂"	1208	1168	3.08
7	A₂"	598	579	48.04
8	E'	3087	2987	30.54
8	E'	3087	2987	30.54
9	E'	1459	1412	0.97
9	E'	1459	1412	0.97
10	E'	717	693	50.48
10	E'	717	693	50.49
11	E'	136	132	2.65
11	E'	136	132	2.65
12	E"	3087	2987	0.00
12	E"	3087	2987	0.00
13	E"	1454	1407	0.00
13	E"	1454	1407	0.00
14	E"	626	605	0.00
14	E"	626	605	0.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.000
C2	0.000	0.000	1.956
C3	0.000	0.000	-1.956
H4	0.000	1.017	2.353
H5	0.000	1.017	-2.353
H6	-0.881	-0.509	2.353
H7	0.881	-0.509	2.353
H8	0.881	-0.509	-2.353
H9	-0.881	-0.509	-2.353

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9559	1.9559	2.5633	2.5633	2.5633	2.5633	2.5633	2.5633
C2	1.9559		3.9117	1.0921	4.4271	1.0921	1.0921	4.4271	4.4271
C3	1.9559	3.9117		4.4271	1.0921	4.4271	4.4271	1.0921	1.0921
H4	2.5633	1.0921	4.4271		4.7055	1.7622	1.7622	5.0246	5.0246
H5	2.5633	4.4271	1.0921	4.7055		5.0246	5.0246	1.7622	1.7622
H6	2.5633	1.0921	4.4271	1.7622	5.0246		1.7622	5.0246	4.7055
H7	2.5633	1.0921	4.4271	1.7622	5.0246	1.7622		4.7055	5.0246
H8	2.5633	4.4271	1.0921	5.0246	1.7622	5.0246	4.7055		1.7622
H9	2.5633	4.4271	1.0921	5.0246	1.7622	4.7055	5.0246	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Zn1	C2	H4	111.309	Zn1	C2	H6	111.309
Zn1	C2	H7	111.309	Zn1	C3	H5	111.309
Zn1	C3	H8	111.309	Zn1	C3	H9	111.309
C2	Zn1	C3	180.000	H4	C2	H6	107.572
H4	C2	H7	107.572	H5	C3	H8	107.572
H5	C3	H9	107.572	H6	C2	H7	107.572
H8	C3	H9	107.572

All results from a given calculation for Zn(CH₃)₂ (dimethyl zinc)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Zn	0.321
2	C	-0.808
3	C	-0.808
4	H	0.216
5	H	0.216
6	H	0.216
7	H	0.216
8	H	0.216
9	H	0.216

<r²>	104.261
(<r²>)^1/2	10.211

All results from a given calculation for Zn(CH3)2 (dimethyl zinc)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for Zn(CH₃)₂ (dimethyl zinc)